data_image0 _chemical_formula_structural NbSNbS2NbS2NbS _chemical_formula_sum "Nb4 S6" _cell_length_a 3.2443513614457267 _cell_length_b 9.910285718698935 _cell_length_c 34.88562313419682 _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 99.42091386874381 _space_group_name_H-M_alt "P 1" _space_group_IT_number 1 loop_ _space_group_symop_operation_xyz 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb1 1.0 0.4398007808084503 0.8796015616169068 0.4927041243861597 1.0000 S S1 1.0 0.36456706816100365 0.7291341363220124 0.4349134539359093 1.0000 Nb Nb2 1.0 0.5792335209330761 0.15846704231176678 0.5072958795066526 1.0000 S S2 1.0 0.6544672300005536 0.30893446044672285 0.5650865508168561 1.0000 S S3 1.0 0.022960964291733107 0.04592192858346666 0.4583757480406021 1.0000 Nb Nb3 1.0 0.8108439963394866 0.6216879931245909 0.4776824087646805 1.0000 S S4 1.0 0.6851036747643657 0.37020734997434745 0.469244421606829 1.0000 S S5 1.0 0.9960733379328554 0.9921466758657108 0.5416242558522102 1.0000 Nb Nb4 1.0 0.2081903064248882 0.4163806128497794 0.522317597707991 1.0000 S S6 1.0 0.333930628000009 0.6678612560000228 0.5307555851524937 1.0000